GW8510 - Moligand™, ≥97% , CAS No.222036-17-1

CAS: 222036-17-1 Cat. No.: G336665 Formule: C₂₁H₁₅N₅O₃S₂ Poids moléculaire: 449.51 PubChem CID: 3536

GRADE & PURITY Moligand™, ≥97%

Synonyms

CID 6539118 | pyridyl)benzenesulfonamide | GW8510, solid | Q27167138 | BDBM153742 | CHEBI:95283 | PD121563 | SCHEMBL5576907 | GCYXEGSPUDSZJY-UHFFFAOYSA-N | 4-[[(Z)-(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]-N-(2-pyridyl)benzenesulfo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

GW8510 is a potent cyclin-dependent kinase-2 (CDK2) inhibitor. GW8510 is also a ribonucleotide reductase M2 (RRM2) inhibitor. GW8510 exhibits neuroprotective and anticancer activities.

Specifications

Synonymes

CID 6539118 | pyridyl)benzenesulfonamide | GW8510, solid | Q27167138 | BDBM153742 | CHEBI:95283 | PD121563 | SCHEMBL5576907 | GCYXEGSPUDSZJY-UHFFFAOYSA-N | 4-[[(Z)-(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]-N-(2-pyridyl)benzenesulfo

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528764721
• Sourires canoniques: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O
• IUPAC Name: 4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
• InChIKey: CDNIYBIKHDLGMT-UHFFFAOYSA-N
• INCHI: 1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)
• Isomères SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O
• WGK Allemagne: 3
• PubChem CID: 3536
• Poids moléculaire: 449.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Hydroxyindoles Indoles Benzothiazoles Benzenesulfonyl compounds Substituted pyrroles Pyridines and derivatives Organosulfonamides Imidolactams Thiazoles Heteroaromatic compounds Aminosulfonyl compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Benzenesulfonamide - Benzenesulfonyl group - Indole or derivatives - Indole - 1,3-benzothiazole - Imidolactam - Organosulfonic acid amide - Substituted pyrrole - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Azole - Shiff base - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (18 mg/ml)
• Poids moléculaire: 449.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 449.062 Da
• Monoisotopic Mass: 449.062 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 753.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1